SCHEMBL3069909

SCHEMBL3069909

CCOC(=O)CC(Br)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TRPA1 O75762 1/20 0.48
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.38
SOAT1 P35610 1/20 0.36
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5673202 0.84 ALDH1A1 (0.50) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL17841947 0.83 ALDH1A1 (0.48) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL13099488 0.81 ALDH1A1 (0.46) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL19936530 0.81 ALDH1A1 (0.46) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL6585676 0.79 ALDH1A1 (0.54) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL2321958 0.79
SCHEMBL27830172 0.79 ALDH1A1 (0.45) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL15567525 0.78 ALDH1A1 (0.43) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL11487878 0.78 ALDH1A1 (0.43) ALDH1A1TRPA1GAAMGAMSI
SCHEMBL328925 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2935284-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-10-28 EP disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
EP-1189895-B8 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-11-09 EP disclosed
EP-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP disclosed
CN-1164579-C Thiazole and oxazole derivatives and their pharmaceutical use 2004-09-01 CN disclosed
US-6723740-B2 ADMINISTERING THERAPEUTIC AMOUNT OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR DELTA AGONIST TO LOWER TRIGLYCERIDES SMITHKLINE BEECHAM CORPORATION 2004-04-20 US disclosed
US-6710063-B1 Activators of PPAR delta SMITHKLINE BEECHAM CORPORATION 2004-03-23 US disclosed
US-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides CHAO ESTHER YU-HSUAN (US) 2003-10-30 US disclosed
CN-1358179-A Thiazole and oxazole derivatives and their pharmaceutical use GLAXO GROUP LTD (GB) 2002-07-10 CN disclosed
EP-1189895-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2002-03-27 EP disclosed
WO-2001000603-A1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2001-01-04 WO disclosed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 ALDH1A1 801/4885TRPA1 535/4885GAA 4442/4885
US-20030203947-A1 Administration of a therapeutic amount of a 1,3-thiazole-5-yl methylsulfanyl or 1,3-oxazole-5-yl methylsulfanyl derivative to a patient for lowering triglycerides PPARA, PPARD, PPARG ALDH1A1 839/4885TRPA1 2942/4885GAA 1435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.